N-((2-fluorophenyl)carbamoyl)-N-phenylacetamide | 1262995-40-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-((2-fluorophenyl)carbamoyl)-N-phenylacetamide
• CAS: 1262995-40-3
• 化学式: C₁₅H₁₃FN₂O₂
• 分子量: 272.279
• InChiKey: ZTCOTSYIRHTPEA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.41
• 重原子数：
  20.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  49.41
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  1-(2-氟苯基)-3-苯基硫脲 、 lead(II) acetate trihydrate 在 三乙胺 作用下， 以 乙腈 为溶剂， 反应 2.0h， 生成 N-(2-fluorophenyl)-N-(phenylcarbamoyl)acetamide 、 N-((2-fluorophenyl)carbamoyl)-N-phenylacetamide
  参考文献：
  名称：

  Oxidative desulfurization of disubstituted thioureas using Pb(II) salts and investigation of pK_a-dependent regioselective N-acylation

  摘要：

  A highly efficient method for the N-acylation of both symmetrical and unsymmetrical thioureas by the use of lead (II) salts and triethylamine has been achieved. The reaction gives regioselective N-acylated product for unsymmetrical thiourea. For unsymmetrical thiuourea, regioselective N-acylation takes place towards the amine having lower pKa. A linear correlation between the pKas of the amines and the regioselective N-acylation is found. Another attractive feature of this transformation is that lead sulfide, which is important to material science, is obtained as a side product (nanocubes of 20nm).

  DOI：

  10.1080/17415990903295686